2-(4-methoxy-1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine

C22H22N2O2 — CID 155511424

IUPAC2-(4-methoxy-1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine
SMILESCOc1cccc2[nH]cc(CCNCc3ccc(-c4ccccc4)o3)c12
InChIInChI=1S/C22H22N2O2/c1-25-21-9-5-8-19-22(21)17(14-24-19)12-13-23-15-18-10-11-20(26-18)16-6-3-2-4-7-16/h2-11,14,23-24H,12-13,15H2,1H3
InChIKeyQMIJJKUZCRUQML-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.77
Rot. Bonds7

About 2-(4-methoxy-1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine

2-(4-methoxy-1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine (PubChem CID 155511424) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(4-methoxy-1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methoxy-1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine
PubChem CID155511424
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name2-(4-methoxy-1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine
SMILESCOc1cccc2[nH]cc(CCNCc3ccc(-c4ccccc4)o3)c12
InChIInChI=1S/C22H22N2O2/c1-25-21-9-5-8-19-22(21)17(14-24-19)12-13-23-15-18-10-11-20(26-18)16-6-3-2-4-7-16/h2-11,14,23-24H,12-13,15H2,1H3
InChIKeyQMIJJKUZCRUQML-UHFFFAOYSA-N
XLogP4.77
TPSA50.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine?
The IUPAC name of 2-(4-methoxy-1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine (CID 155511424) is 2-(4-methoxy-1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methoxy-1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-methoxy-1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine is COc1cccc2[nH]cc(CCNCc3ccc(-c4ccccc4)o3)c12.
What is the InChIKey of 2-(4-methoxy-1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine?
The InChIKey is QMIJJKUZCRUQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-25-21-9-5-8-19-22(21)17(14-24-19)12-13-23-15-18-10-11-20(26-18)16-6-3-2-4-7-16/h2-11,14,23-24H,12-13,15H2,1H3.
What are the key properties of 2-(4-methoxy-1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine?
2-(4-methoxy-1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine has a molecular weight of 346.43 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1H-indol-3-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 155511424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).